4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C65H74ClF2N17O7 — CID 159595437

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C#N)c(F)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(N)=O)c(F)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(Cl)nc2n1
InChIInChI=1S/C24H27FN6O3.C24H25FN6O2.C17H22ClN5O2/c1-14-12-33-9-7-30(14)23-18-5-6-20(16-3-4-17(21(26)32)19(25)11-16)27-22(18)28-24(29-23)31-8-10-34-13-15(31)2;1-15-13-32-9-7-30(15)23-19-5-6-21(17-3-4-18(12-26)20(25)11-17)27-22(19)28-24(29-23)31-8-10-33-14-16(31)2;1-11-9-24-7-5-22(11)16-13-3-4-14(18)19-15(13)20-17(21-16)23-6-8-25-10-12(23)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,26,32);3-6,11,15-16H,7-10,13-14H2,1-2H3;3-4,11-12H,5-10H2,1-2H3/t14-,15-;15-,16-;11-,12-/m000/s1
InChIKeyMKTWOUHDIIULPH-VDDDWIIWSA-N
MW1278.87 g/mol
LogP7.66
Rot. Bonds9

About 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 159595437) has the molecular formula C65H74ClF2N17O7 and a molecular weight of 1278.87 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID159595437
Molecular FormulaC65H74ClF2N17O7
Molecular Weight1278.87 g/mol
Exact Mass1277.56
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C#N)c(F)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(N)=O)c(F)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(Cl)nc2n1
InChIInChI=1S/C24H27FN6O3.C24H25FN6O2.C17H22ClN5O2/c1-14-12-33-9-7-30(14)23-18-5-6-20(16-3-4-17(21(26)32)19(25)11-16)27-22(18)28-24(29-23)31-8-10-34-13-15(31)2;1-15-13-32-9-7-30(15)23-19-5-6-21(17-3-4-18(12-26)20(25)11-17)27-22(19)28-24(29-23)31-8-10-33-14-16(31)2;1-11-9-24-7-5-22(11)16-13-3-4-14(18)19-15(13)20-17(21-16)23-6-8-25-10-12(23)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,26,32);3-6,11,15-16H,7-10,13-14H2,1-2H3;3-4,11-12H,5-10H2,1-2H3/t14-,15-;15-,16-;11-,12-/m000/s1
InChIKeyMKTWOUHDIIULPH-VDDDWIIWSA-N
XLogP7.66
TPSA257.71 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.87
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Related Compounds

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
CID 57441859
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide
CID 57441862
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 57441866
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 57441868
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluoro-N-methylbenzamide
CID 57441904
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-fluorobenzamide
CID 57441919
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
CID 57441909
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide
CID 57441955
4-[2,4-Bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
CID 66674169
2-Fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 67774793
3-[7-(4-Chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide
CID 57442163
3-[[2,4-Bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide
CID 91383643

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 159595437) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C#N)c(F)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(N)=O)c(F)c3)nc2n1.C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(Cl)nc2n1.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is MKTWOUHDIIULPH-VDDDWIIWSA-N. The full InChI is InChI=1S/C24H27FN6O3.C24H25FN6O2.C17H22ClN5O2/c1-14-12-33-9-7-30(14)23-18-5-6-20(16-3-4-17(21(26)32)19(25)11-16)27-22(18)28-24(29-23)31-8-10-34-13-15(31)2;1-15-13-32-9-7-30(15)23-19-5-6-21(17-3-4-18(12-26)20(25)11-17)27-22(19)28-24(29-23)31-8-10-33-14-16(31)2;1-11-9-24-7-5-22(11)16-13-3-4-14(18)19-15(13)20-17(21-16)23-6-8-25-10-12(23)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,26,32);3-6,11,15-16H,7-10,13-14H2,1-2H3;3-4,11-12H,5-10H2,1-2H3/t14-,15-;15-,16-;11-,12-/m000/s1.
What are the key properties of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 1278.87 g/mol, XLogP of 7.66, 9 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide;4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzonitrile;(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 159595437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).